2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide

C21H19N3O4S — CID 166205942

IUPAC2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)CC(=O)N2)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N3O4S/c1-24(29(27,28)18-8-6-14-4-2-3-5-15(14)11-18)13-21(26)22-17-7-9-19-16(10-17)12-20(25)23-19/h2-11H,12-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyJBRAAIVDNBFLED-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.59
Rot. Bonds5

About 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide (PubChem CID 166205942) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
PubChem CID166205942
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)CC(=O)N2)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N3O4S/c1-24(29(27,28)18-8-6-14-4-2-3-5-15(14)11-18)13-21(26)22-17-7-9-19-16(10-17)12-20(25)23-19/h2-11H,12-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyJBRAAIVDNBFLED-UHFFFAOYSA-N
XLogP2.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
N-(3,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282133
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 24684358
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 2202584
N-(4-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282109
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20862437
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 39215800
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
N-(2,6-diethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2203258
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 45375148

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide (CID 166205942) is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The canonical SMILES for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide is CN(CC(=O)Nc1ccc2c(c1)CC(=O)N2)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The InChIKey is JBRAAIVDNBFLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-24(29(27,28)18-8-6-14-4-2-3-5-15(14)11-18)13-21(26)22-17-7-9-19-16(10-17)12-20(25)23-19/h2-11H,12-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide has a molecular weight of 409.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide is sourced from PubChem (CID 166205942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).